pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene

• ChemBase编号: 126080
• 分子式: C20H12
• 平均质量: 252.30928
• 单一同位素质量: 252.09390038
• SMILES: c1ccc2c(c1)cc1c3c2cccc3c2c1cccc2
• Canonical SMILES: c1ccc2c(c1)c1cc3ccccc3c3c1c2ccc3
• InChI: InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
• InChIKey: FTOVXSOBNPWTSH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^3,^1^8]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene; pentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^3,^1^8]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
• IUPAC传统名: benzo(B)fluoranthene
• 别名: 3,4-苯并荧蒽; 苯并[b]荧蒽; 苯并[b]荧蒽 溶液; NSC 89265; 3,4-Benzofluoranthene; Benzo[b]fluoranthene; 2,3-Benzfluoranthene; 3,4-Benz[e]acephenanthrylene; 3,4-Benzfluoranthene; Benz[e]acephenanthrylene; Benzo[e]fluoranthene; Benzo[b]fluoranthene solution; Benzo(b)fluoranthene

登记号

• CAS号: 205-99-2
• EC号: 200-659-6; 205-911-9
• MDL号: MFCD00010582
• Beilstein号: 1872553
• PubChem SID: 24871998; 24892166; 24856641; 24862989; 24864945; 24871990; 162220421
• PubChem CID: 9153
• CHEBI ID: 34565
• CHEMBL: 1797274
• Chemspider ID: 8799
• KEGG ID: C14320
• 维基百科标题: Benzo(b)fluoranthene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.273404
• LogD (pH = 7.4): 5.273404
• Log P: 5.273404
• 摩尔折射率: 83.1728 cm^3
• 极化性: 37.74061 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: off-white to tan powder
• 熔点: 163-165 °C(lit.); 168 °C
• 闪点: 0 °F; 11 °C; -18 °C; 228.6 °C; 51.8 °F
• 密度: 1.286 g/cm^3

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1090; 1145; 2811
• 德国WGK号: 1; 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 2; 3
• 危险公开号: 11-23/24/25-39/23/24/25; 11-38-50/53-65-67; 45-36-52/53-66-67; 45-50/53
• 安全公开号: 53-26-45-61; 53-45-60-61; 60-61-62; 7-16-36/37-45
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H301-H311-H331-H370; H319-H336-H350-H412; H350-H410
• GHS警示性声明: P201-P261-P273-P305 + P351 + P338-P308 + P313; P201-P273-P308 + P313-P501; P210-P260-P280-P301 + P310-P311
• RID/ADR: UN 1090 3/PG 2; UN 1145 3/PG 2; UN 2811 6.1/PG 3
• 欧盟补充危害声明: Repeated exposure may cause skin dryness or cracking.
• 保存温度: 2-8°C

产品相关信息

• 纯度: 98%
• 浓度: 100 ng/μL in cyclohexane; 1000 μg/mL in acetone; 200 μg/mL in methanol
• 级别: analytical standard; analytical standard, for environmental analysis; BCR® certified Reference Material; certified reference material; TraceCERT®
• 包装: ampule of 1 mL; ampule of 50 mg
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C20H12

详细说明

Sigma Aldrich - 275336

包装
25, 100 mg in glass bottle

Sigma Aldrich - BCR047

法律信息
BCR 注册商标 European Commission

Sigma Aldrich - 30958

General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate. Download your certificate at: http://www.sigma-aldrich.com.
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC